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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Coupling physics in machine learning to predict properties of high-temperatures alloys

Abstract High-temperature alloy design requires a concurrent consideration of multiple mechanisms at different length scales. We propose a workflow that couples highly relevant physics into machine learning (ML) to predict properties of complex high-temperature alloys with an example of the 9–12 wt% Cr steels yield strength. We have incorporated synthetic alloy features that capture microstructure and phase transformations into the dataset. Identified high impact features that affect yield strength of 9Cr from correlation analysis agree well with the generally accepted strengthening mechanism. As a part of the verification process, the consistency of sub-datasets has been extensively evaluated with respect to temperature and then refined for the boundary conditions of trained ML models. The predicted yield strength of 9Cr steels using the ML models is in excellent agreement with experiments. The current approach introduces physically meaningful constraints in interrogating the trained ML models to predict properties of hypothetical alloys when applied to data-driven materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Demonstration of and future perspective on scaling ultrafast-laser-ablation microstructuring of Li-ion battery electrodes to roll-to-roll production and large-format cells

This work demonstrates integration of an ultrafast laser onto a roll-to-roll machine, the laser structuring of a double-sided, 700 m long roll of graphite battery anode and its subsequent manufacture into 27 Ah prismatic cells. The electrode was ablated with a novel hybrid-microstructure composed of both hexagonally arranged pores for enhanced rate performance and channels for fast electrolyte wetting. Subsequently, this anode and a non-ablated baseline anode are paired with an NMC111 cathode for cell building and electrochemical characterization. Compared to the baseline, laser ablated cells demonstrated a reduction in soaking time of at least 60%, an improvement in fast charge capability with >30% more capacity accepted during 6C charging, and an extension of cycle life of >40% during 0.5C cycling. Further, a perspective is provided on scaling ultrafast laser ablation of battery electrodes to industrial throughputs. Additionally, lessons learned from this pilot-scale demonstration are provided in regards to optical architecture, debris removal, and system control. A techno-economic analysis is used to demonstrate that laser ablation can be integrated into existing electrode manufacturing facilities with only ≈$\$$1.3 per kWh increase (≈2%) in manufacturing cost. Preemptive electrode design for laser ablation is discussed as a further method for enhancing performance. Finally, an analysis of available laser systems and beam-scanning architectures is used to determine design requirements to scale process throughput to a state-of-the-art speed of 50 m min −1 . This analysis demonstrates that laser ablating Li-ion battery electrodes has multiple benefits to manufacturing and battery performance, that the technology already exists to achieve high laser-ablation throughputs, and that integrating ultrafast laser ablation to electrode manufacturing will not create a cost or processing bottleneck.

25 ENERGY STORAGE↗
DOE OSTI2024

Advanced manufacturing provides tailor-made solutions for crystallography with x-ray free-electron lasers

Serial crystallography at large facilities, such as x-ray free-electron lasers and synchrotrons, evolved as a powerful method for the high-resolution structural investigation of proteins that are critical for human health, thus advancing drug discovery and novel therapies. However, a critical barrier to successful serial crystallography experiments lies in the efficient handling of the protein microcrystals and solutions at microscales. Microfluidics are the obvious approach for any high-throughput, nano-to-microliter sample handling, that also requires design flexibility and rapid prototyping to deal with the variable shapes, sizes, and density of crystals. Here, we discuss recent advances in polymer 3D printing for microfluidics-based serial crystallography research and present a demonstration of emerging, large-scale, nano-3D printing approaches leading into the future of 3D sample environment and delivery device fabrication from liquid jet gas-dynamic virtual nozzles devices to fixed-target sample environment technology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluation of U10Mo Fuel Plate Performance Modeling Over Hot Isostatic Press and Hydraulic Bending for MURR DDE Plates

The United States High Performance Research Reactor Program’s objective is to reduce the amount of highly enriched uranium currently implemented in research reactors. The conversion of these research reactors requires designing a monolithic U10Mo plate fuel, with the fuel plate geometry being dependent on each research reactor. The process of forming the plates includes a hot isostatic pressing (HIP) to manufacture a prototypic plate. In the case of the Missouri University Research Reactor (MURR) design demonstration element (DDE) plate manufacture, plates that have been through HIP are then curved using dies and a hydraulic press to impart the desired curvature. Both fabrication processes impart residual stresses into each fuel plate region, with the curvature of the plates taking some regions of the fuel plate up to their material yield stresses, accompanied by plastic strain. The amount of plastic strain and stress imparted onto each MURR DDE plate is determined by the radius of curvature, thickness of each region, and overall width of the fuel plates. Furthermore, this work aims to predict the yield stresses and strain using ABAQUS to simulate the proposed fabrication process of the MURR DDE plates, accompanied by discussion over the stresses and strains as to their relation to nuclear fuel performance and the impact they will have during early irradiation.

ABAQUS↗
DOE OSTI2024

Investigating the impact of intermediate-mode perturbations on diagnosing plasma conditions in DT cryogenic implosions via synthetic x-ray Thomson scattering

The pursuit of inertial confinement fusion ignition target designs requires precise experimental validation of the conditions within imploding capsules, in particular the density and temperature of the compressed shell. Previous work has identified x-ray Thomson scattering (XRTS) as a viable diagnostic tool for inferring the in-flight compressed deuterium-tritium shell conditions during capsule implosions (Poole et al 2022 Phys. Plasmas 29 072703). However, this study focused on one-dimensional simulations, which do not account for the growth of hydrodynamic instabilities. In this work, two-dimensional DRACO simulations incorporating intermediate-mode perturbations up to Legendre mode l = 50 were used to generate synthetic XRTS spectra with the SPECT3D code. The analysis employed Markov-Chain Monte Carlo techniques to infer plasma conditions from these spectra. The results demonstrate that the XRTS diagnostic platform can effectively discern the in-flight compressed shell conditions for targets with varying adiabats, even in the presence of intermediate-mode perturbations. This work underscores the potential of XRTS for realistic inertial confinement fusion experiments, providing a robust method for probing the complex dynamics of fusion implosions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

The La Silla Schmidt Southern Survey

We present the La Silla Schmidt Southern Survey (LS4), a new wide-field, time-domain survey to be conducted with the 1 m ESO Schmidt telescope. The 268 megapixel LS4 camera mosaics 32 2k × 4k fully depleted CCDs, providing a ∼20 deg 2 field of view with 1″ pixel −1 resolution. The LS4 camera will have excellent performance at longer wavelengths: in a standard 45 s exposure the expected 5σ limiting magnitudes in g, i, z are ∼21.5, ∼20.9, and ∼20.3 mag (AB), respectively. The telescope design requires a novel filter holder that fixes different bandpasses over each quadrant of the detector. Two quadrants will have i band, while the other two will be g and z band with color information obtained by dithering targets across the different quadrants. The majority (90%) of the observing time will be used to conduct a public survey that monitors the extragalactic sky at both moderate (3 days) and high (1 day) cadence, as well as focused observations within the Galactic plane and bulge. Alerts from the public survey will be broadcast to the community via established alert brokers. LS4 will run concurrently with the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST). The combination of LS4+LSST will enable detailed holistic monitoring of many nearby transients: high-cadence LS4 observations will resolve the initial rise and peak of the light curve while less-frequent but deeper observations by LSST will characterize the years before and after explosion. Here, we summarize the primary science objectives of LS4 including microlensing events in the Galaxy, extragalactic transients powered by massive black holes or stellar explosions, the search for electromagnetic counterparts to multi-messenger events, and supernova cosmology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Comparison of Rotor Wake Identification and Characterization Methods for the Analysis of Wake Dynamics and Evolution

Optimal wind power plant design requires understanding of wind turbine wake physics and validation of engineering wake models under wake-controlled operating conditions. In this work, we have developed and investigated several different wake identification and characterization methods for analyzing wake evolution and dynamics. The accuracy and robustness of these methods, based on Gaussian function fitting and adaptive contour identification, have been assessed by application to a large-eddy simulation data set. A new contour-based method based on downstream momentum deficit has been considered. Uncertainties arising from wake-identification errors result in characterizations of the wake expansion, recovery, and meandering motion that differ by 19% of the rotor area, 4% of the freestream, and 15% rotor diameter, respectively.

17 WIND ENERGY↗
DOE OSTI2024

Implications of an emission trading scheme for India’s net-zero strategy: a modelling-based assessment

To help meet its near-term NDC goals and long-term net-zero 2070 target, the Government of India has planned to establish a Carbon Credit Trading Scheme (CCTS), i.e. a domestic emission trading scheme (ETS). An ETS is an inherently cost-effective policy instrument for emission reduction, providing the greatest flexibility to reduce emissions from within and across sectors. An effective ETS requires design features that consider country-specific challenges and reflect its role within the larger policy package to achieve long-term emission reduction. Within the Indian context and in this study we therefore investigate—(i) what might be the role of the ETS in achieving India’s long-term mitigation targets? (ii) How might the various sectors interact under an emissions cap? (iii) How might the ETS interact with existing energy and climate policies? We do this analysis by running four main scenarios using the integrated assessment model GCAM (v6.0), adapted to India-specific assumptions and expectations. These scenarios are—(i) NZ (net-zero), (ii) NZ + ETS, (iii) NZ + CC (command and control), and (iv) NZ + RPO (renewables purchase obligations) + ETS. The NZ scenario assumes India’s near-term and long-term climate commitments of net zero by 2070. Scenarios with ETS (ii) and (iv) apply an emissions cap on four sectors—electricity, iron and steel, cement, and fertilizer. The scenario with CC applies a homogenous emission cap on each of the chosen sectors but does not allow cross-sectoral trading. The last scenario includes renewables purchase obligations (RPOs along with an ETS. We show that under a specific ETS emissions cap: (i) the electricity sector emerges as the largest source of cost-effective greenhouse gas (GHG) reduction options; (ii) ETS with trading across sectors is around 24% more cost-effective than ETS with trading only within sectors, (iii) RPOs can be complementary to an ETS although the impact of RPOs on GHG reductions in the electricity sector would need to be considered when setting the level of the ETS cap (or emissions intensity targets) or the RPO targets to avoid low carbon prices, and (iv) the direction and volume of financial transfers across sectors depends on allocation targets set by the government. Based on these results we provide design recommendations for India’s ETS.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

A System Level Comparative Study of SecondarySide Rectifiers for UAV Wireless Power Transfer in High-Altitude Airborne Energy Platforms

Wireless power transfer (WPT) systems for unmanned aerial vehicles (UAVs) must satisfy stringent design requirements to ensure reliable operation under constraints related to efficiency, thermal performance, altitude, weight, and reliability, particularly in airborne and high-altitude environments. Thermal management becomes increasingly challenging at higher altitudes due to reduced air density, while reliability is strongly affected by the number and complexity of active components. The weight and compactness of secondary-side rectifiers directly impact UAV flight endurance and system integration, influencing energy consumption and payload allocation. These factors collectively define the practical feasibility of UAV WPT systems and guide rectifier topology selection. This paper presents a comparative and experimentally validated evaluation framework for secondary-side rectifiers under UAV-specific constraints. Three representative rectifier architectures are analyzed using component-based assessment of weight, thermal behavior, and reliability, together with experimental efficiency measurements obtained from a 1 kW WPT prototype. The results show that the single-switch active rectifier achieves the highest peak efficiency of approximately 93.2% and an overall efficiency of 91%, while also offering advantages in weight and reliability. The findings demonstrate how constraint-oriented analysis, combined with experimental validation, enables informed selection of secondary-side rectifiers for UAV wireless power transfer applications, including emerging airborne and high-altitude platforms.

Asa, Erdem [ORNL] (ORCID:0000000190884812)↗
DOE OSTI2024

The Integrated Reference Region Analysis for Parallel DFIGs’ Interfacing Inductors

Although the traditional design of doubly-fed induction generators (DFIGs)’ interfacing inductors consider the peak ripple of the grid-side converter (GSC)’s output current, it does not consider the inductors’ impact on DFIGs’ smallsignal stability. Located in series between the GSC and the stator, the inappropriate selection of the interfacing inductor can easily result to system instability. Therefore, this paper first proposes the integrated reference region analysis for small wind farm's interfacing inductors to improve the traditional design method. Firstly, a new detailed parallel DFIGs’ smallsignal model that considers output currents’ coupling is built in d-q coordinate system with state-space approach. The model focuses on representing the operating states of parallel DFIGs in wind farm. Secondly, the linearized state-space matrix of parallel DFIGs is decomposed into nominal-value matrix and location matrix. Considering the traditional design requirements, the integrated reference region for interfacing inductor is proposed through spectral radius and bialternate matrix sum (BMS). Furthermore, it can provide better guidance for parameter selecting and stabilization method researches. Finally, the simulation and experimental results show that the proposed integrated reference region for parallel DFIGs’ interfacing inductors is accurate and instructive.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Alumina-based filters made via binder jet 3D printing of alumina powder, colloidal silica infiltration, and sintering

Alumina-based, porous filter media was made via a binder jet 3D printing process consisting of an alumina powder printing step with subsequent heating, colloidal silica infiltration, drying, and sintering to consolidate particles yet retain a net open porous microstructure. The composites made were alumina-silica or alumina-mullite, where the silica sintering aid was used to densify and join the alumina particles. The resulting composite structures had open porosities in the 25–31 vol% range as measured by Archimedes density. Pressure drops were measured across the filter media at constant flow rates to compare disc shapes and complex, 3D printed filters based on the N95 design requirements. Complex, 3D-printed alumina composites were produced with acceptable pressure drops for N95 implementation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Characterizing Flow Instabilities During Transient Events in the Turbine Rim Seal Cavity

Abstract Gas turbine engine design requires considerations not only for long-term steady operation but also for critical transient events. Aircraft engines undergo significant stress during takeoff and landing, while power generation turbines must be flexible for hot restarts as renewable energy sources come online and offline. During these transient cycles, engines sustain wear and degradation that can lead to a reduction in the lifespan of their components and more frequent, costly maintenance. Cooling flows are often used to mitigate these effects, but can lead to complex and problematic flow interactions. This study uses high-frequency response pressure probes and heat flux gauges in the rim seal cavity of a one-stage research turbine to characterize the properties of large-scale flow structures during transient operation. A continuous-duration turbine testing facility provides the ability to assess the importance of these transients by first reaching steady-state operation before imposing transient behaviors. Although previous studies have conducted similar measurements for steady purge flows and wheel speeds, varying these parameters to simulate transient effects revealed several unique phenomena not identifiable with discrete steady measurements. The measurement approach connects the varied transient parameter to the behavior of the flow structures to enable a better understanding of the type of instability observed and the root cause of its formation. In particular, a relationship between instability cell formation and rim sealing effectiveness was identified using experimental data and was supported through computational simulations.

Engineering↗
DOE OSTI2024

A Phenomenological Thermal Spray Wall Interaction Modeling Framework Applied to a High Temperature Ignition Assistant Device

Airborne compression ignition engines must operate with reliable ignition systems to achieve proper ignition at every cycle, particularly at high altitudes. Glow-plug-based ignition-assistant (IA) devices can provide the necessary energy to preheat the fuel and ensure ignitability of the fuel-air mixture. Ignitability of liquid sprays can be facilitated via direct impingement onto the hot IA surface, however this comes with adverse effects on the IA durability. Therefore, optimizing an IA’s design requires detailed understanding of the physics of fuel spray impingement of superheated surfaces. While spray impingement on relatively low wall temperatures has been extensively studied and appropriate numerical models have been proposed through the years, fundamental understanding of high-speed liquid spray impingement on superheated walls is still elusive. This work aims to formulate a phenomenological thermal spray-wall interaction framework for modeling the film-boiling-induced heat transfer, atomization, and dispersion of fuel spray droplets impinging onto a superheated IA device. A qualitative comparison of the new phenomenological model is performed against optical experiments from the literature of an F-24 fuel spray injected onto an IA device located 12 mm away from the injector tip. The temperature of the IA was set at 1400 K. The fuel injection pressure was 400 bar, while the ambient gas pressure and temperature were 30 bar and 800 K, respectively. The performance of the phenomenological model is evaluated in comparison with two other state-of-art models from the literature. A qualitative analysis of the different spray and fuel-air mixture characteristics is performed to outline the differences in the predictions offered by the new phenomenological model and the two state-of-art spray-wall interaction models.

droplet dispersion↗
DOE OSTI2023

Design of a custom vapor transport co-deposition system for scalable production of perovskite solar cells

Vacuum-deposited perovskites provide a more direct path to manufacturing large area solar cells because of ready compatibility with multilayered architectures and historic use in the electronics industry. However, vacuum compatible co-deposition of organic-inorganic perovskites remains difficult due to issues of precisely controlling the organic precursor flux. Here, we demonstrate a manufacturing prototype specifically designed for co-depositing organic-inorganic perovskites and evaluate it with respect to the influence of process parameters on film growth. Through depositing and characterizing methylammonium lead iodide (MAPbI3) perovskite films, we highlight the necessary design requirements while measuring the influence of film growth parameters on deposition rate and perovskite phases.

14 SOLAR ENERGY↗
DOE OSTI2025

1.1 eV GaInAs Cell Development for Dual-Use Solar and 1070 nm Laser Power Converters

Dual-use photovoltaic cells can receive solar and laser power simultaneously to generate current, an application relevant to space and terrestrial industries. This study investigates two concepts of solar cells optimized for dual-use 1070 nm laser and solar power conversion, a single-junction and triple-junction cell. The cell designs are based upon the 3- junction inverted metamorphic solar cell, previously shown highly efficient for solar conversion. Because it is closely bandgap-tuned for a 1070 nm laser, the 1 eV bottom junction is incorporated into each of the two designs, making its development key to the success of both concepts. However, each design requires some modification for efficient dual use. The single-junction device requires optimization to reduce short wavelength absorption of the broad solar spectrum. In both devices, the graded buffer layers in the GaInAs cell affect the cell's performance by reducing threading dislocations in the active junction. However, the buffer in the three-junction device also acts as a lateral transport layer and so affects the fill factor depending on its sheet resistance. By varying the buffer thickness, we demonstrate a direct relationship between buffer thickness and sheet resistance reduction, while considering implications to open-circuit voltages. We also performed resistance modeling to determine the optimal grid spacing and thickness of the grid fingers to minimize losses due to sheet resistance and grid shading. Efficiency data for a one junction GaInAs cell demonstrates a laser conversion efficiency of 38% at 1070 nm wavelength without an anti-reflection coating.

dual-use↗
DOE OSTI2023

Unified Communication Optimization Strategies for Sparse Triangular Solver on CPU and GPU Clusters

This paper presents a unified communication optimization framework for sparse triangular solve (SpTRSV) algorithms on CPU and GPU clusters. The framework builds upon a 3D communication-avoiding (CA) layout of Px × Py × Pz processes that divides a sparse matrix into Pz submatrices, each handled by a Px × Py 2D grid with block-cyclic distribution. We propose three communication optimization strategies: First, a new 3D SpTRSV algorithm is developed, which trades the inter-grid communication and synchronization with replicated computation. This design requires only one inter-grid synchronization, and the inter-grid communication is efficiently implemented with sparse allreduce operations. Second, broadcast and reduction communication trees are used to reduce message latency of the intra-grid 2D communication on CPU clusters. Finally, we leverage GPU-initiated one-sided communication to implement the communication trees on GPU clusters. With these nested inter- and intra-grid communication optimization strategies, the proposed 3D SpTRSV algorithm can attain up to 3.45x speedups compared to the baseline 3D SpTRSV algorithm using up to 2048 Cori Haswell CPU cores. In addition, the proposed GPU 3D SpTRSV algorithm can achieve up to 6.5x speedups compared to the proposed CPU 3D SpTRSV algorithm with Pz up to 64. Finally it is remarkable that the proposed GPU 3D SpTRSV can scale to 256 GPUs using the Perlmutter system while the existing 2D SpTRSV algorithm can only scale up to 4 GPUs.

Sao, Piyush↗
DOE OSTI2022

Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules

Abstract Graph Convolutional Neural Network (GCNN) is a popular class of deep learning (DL) models in material science to predict material properties from the graph representation of molecular structures. Training an accurate and comprehensive GCNN surrogate for molecular design requires large-scale graph datasets and is usually a time-consuming process. Recent advances in GPUs and distributed computing open a path to reduce the computational cost for GCNN training effectively. However, efficient utilization of high performance computing (HPC) resources for training requires simultaneously optimizing large-scale data management and scalable stochastic batched optimization techniques. In this work, we focus on building GCNN models on HPC systems to predict material properties of millions of molecules. We use HydraGNN, our in-house library for large-scale GCNN training, leveraging distributed data parallelism in PyTorch. We use ADIOS, a high-performance data management framework for efficient storage and reading of large molecular graph data. We perform parallel training on two open-source large-scale graph datasets to build a GCNN predictor for an important quantum property known as the HOMO-LUMO gap. We measure the scalability, accuracy, and convergence of our approach on two DOE supercomputers: the Summit supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) and the Perlmutter system at the National Energy Research Scientific Computing Center (NERSC). We present our experimental results with HydraGNN showing (i) reduction of data loading time up to 4.2 times compared with a conventional method and (ii) linear scaling performance for training up to 1024 GPUs on both Summit and Perlmutter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗